N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide

C13H21N3O — CID 47109350

IUPACN-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCCCCC2)n[nH]1
InChIInChI=1S/C13H21N3O/c1-10-9-12(16-15-10)13(17)14-11-7-5-3-2-4-6-8-11/h9,11H,2-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyYLAOPOYSLPFPMY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.56
Rot. Bonds2

About N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide

N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 47109350) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID47109350
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCCCCC2)n[nH]1
InChIInChI=1S/C13H21N3O/c1-10-9-12(16-15-10)13(17)14-11-7-5-3-2-4-6-8-11/h9,11H,2-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyYLAOPOYSLPFPMY-UHFFFAOYSA-N
XLogP2.56
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43582836
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5-methyl-N-(1-phenylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
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N-cyclohexyl-3-methyl-2H-pyrazolo[4,3-c]pyridine-4-carboxamide
CID 59619080
N-cyclohexyl-5-[4-methyl-2-[4-(4-methylphenyl)phenyl]-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide (CID 47109350) is N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCCCCCC2)n[nH]1.
What is the InChIKey of N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is YLAOPOYSLPFPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-9-12(16-15-10)13(17)14-11-7-5-3-2-4-6-8-11/h9,11H,2-8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide?
N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47109350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).